CID 18426409

Cyclopentyloxybenzene

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C1CCC(C1)OC2=CC=CC=C2

InChI

InChI=1S/C11H14O/c1-2-6-10(7-3-1)12-11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2

InChIKey

NNKOHFRNPSBBQP-UHFFFAOYSA-N

Compound name

cyclopentyloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 390
Patents: 162.10446 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.11174	136.1
[M+Na]+	185.09368	148.4
[M+NH4]+	180.13828	146.3
[M+K]+	201.06762	142.4
[M-H]-	161.09718	140.5
[M+Na-2H]-	183.07913	144.4
[M]+	162.10391	139.1
[M]-	162.10501	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe